Chemical ID: 7136820

c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3O
Chemical ID:
7136820
Name [?]:
5-benzylidene-2-(2-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C16H12N2O2S/c19-13-9-5-4-8-12(13)17-16-18-15(20)14(21-16)10-11-6-2-1-3-7-11/h1-10,19H,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,3,5,16,19,7,4,15,20,8,9,12,14,11,21,10,13/E:(2,3)(6,7)/rA:21nCCCCCCCCCONCSNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O2S
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.68135
Area:485.058
Solvation:-2.4451
Coulombic:-47.3866
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:296.345
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.38
LogP (Chemaxon):3.92

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